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6Q2R
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BU of 6q2r by Molmil
Cryo-EM structure of RET/GFRa2/NRTN extracellular complex in the tetrameric form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF family receptor alpha-2, ...
Authors:Li, J, Shang, G.J, Chen, Y.J, Brautigam, C.A, Liou, J, Zhang, X.W, Bai, X.C.
Deposit date:2019-08-08
Release date:2019-10-02
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM analyses reveal the common mechanism and diversification in the activation of RET by different ligands.
Elife, 8, 2019
6Q2J
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BU of 6q2j by Molmil
Cryo-EM structure of extracellular dimeric complex of RET/GFRAL/GDF15
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF family receptor alpha-like, ...
Authors:Li, J, Shang, G.J, Chen, Y.J, Brautigam, C.A, Liou, J, Zhang, X.W, Bai, X.C.
Deposit date:2019-08-08
Release date:2019-10-02
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM analyses reveal the common mechanism and diversification in the activation of RET by different ligands.
Elife, 8, 2019
6Q2S
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BU of 6q2s by Molmil
Cryo-EM structure of RET/GFRa3/ARTN extracellular complex. The 3D refinement was applied with C2 symmetry.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF family receptor alpha-3, ...
Authors:Li, J, Shang, G.J, Chen, Y.J, Brautigam, C.A, Liou, J, Zhang, X.W, Bai, X.C.
Deposit date:2019-08-08
Release date:2019-10-02
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM analyses reveal the common mechanism and diversification in the activation of RET by different ligands.
Elife, 8, 2019
6Q2O
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BU of 6q2o by Molmil
Cryo-EM structure of RET/GFRa2/NRTN extracellular complex. The 3D refinement was applied with C2 symmetry.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF family receptor alpha-2, ...
Authors:Li, J, Shang, G.J, Chen, Y.J, Brautigam, C.A, Liou, J, Zhang, X.W, Bai, X.C.
Deposit date:2019-08-08
Release date:2019-10-02
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Cryo-EM analyses reveal the common mechanism and diversification in the activation of RET by different ligands.
Elife, 8, 2019
6Q2N
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BU of 6q2n by Molmil
Cryo-EM structure of RET/GFRa1/GDNF extracellular complex
Descriptor: CALCIUM ION, GDNF family receptor alpha-1, Glial cell line-derived neurotrophic factor, ...
Authors:Li, J, Shang, G.J, Chen, Y.J, Brautigam, C.A, Liou, J, Zhang, X.W, Bai, X.C.
Deposit date:2019-08-08
Release date:2019-10-02
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM analyses reveal the common mechanism and diversification in the activation of RET by different ligands.
Elife, 8, 2019
7VVC
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BU of 7vvc by Molmil
Crystal structure of inactive mutant of leaf-branch compost cutinase variant
Descriptor: ACETATE ION, ACETIC ACID, CALCIUM ION, ...
Authors:Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
Deposit date:2021-11-05
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
4O1H
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BU of 4o1h by Molmil
Crystal Structure of the regulatory domain of AmeGlnR
Descriptor: Transcription regulator GlnR
Authors:Lin, W, Wang, C, Zhang, P.
Deposit date:2013-12-16
Release date:2014-04-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
6JWE
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BU of 6jwe by Molmil
structure of RET G-quadruplex in complex with colchicine
Descriptor: DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
Authors:Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C.
Deposit date:2019-04-20
Release date:2020-02-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
6JWD
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BU of 6jwd by Molmil
structure of RET G-quadruplex in complex with berberine
Descriptor: BERBERINE, DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3')
Authors:Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C.
Deposit date:2019-04-19
Release date:2020-04-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
7VU8
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BU of 7vu8 by Molmil
L7-Tir domain with bound ligand
Descriptor: 2',3'- cyclic AMP, Flax rust resistance protein
Authors:Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
Deposit date:2021-11-01
Release date:2022-06-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite:TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
1UEF
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BU of 1uef by Molmil
Crystal Structure of Dok1 PTB Domain Complex
Descriptor: 13-mer peptide from Proto-oncogene tyrosine-protein kinase receptor ret, Docking protein 1
Authors:Shi, N, Ye, S, Liu, Y, Zhou, W, Ding, Y, Lou, Z, Qiang, B, Yan, J, Rao, Z.
Deposit date:2003-05-14
Release date:2004-05-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for the Specific Recognition of RET by the Dok1 Phosphotyrosine Binding Domain
J.Biol.Chem., 279, 2004
7X5L
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BU of 7x5l by Molmil
Tir-dsDNA complex, the initial binding state
Descriptor: DNA (5'-D(*AP*TP*AP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*AP*TP*TP*AP*A)-3'), Flax rust resistance protein
Authors:Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
Deposit date:2022-03-04
Release date:2022-06-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
7X5M
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BU of 7x5m by Molmil
Tir-dsDNA complex, the initial binding state
Descriptor: 2',3'- cyclic AMP, DNA (5'-D(P*AP*TP*TP*AP*A)-3'), DNA (5'-D(P*AP*TP*TP*TP*A)-3'), ...
Authors:Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
Deposit date:2022-03-05
Release date:2022-06-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
7X5K
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BU of 7x5k by Molmil
Tir-dsDNA complex, the initial binding state
Descriptor: DNA (43-MER), Flax rust resistance protein
Authors:Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
Deposit date:2022-03-04
Release date:2022-06-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
4Y4R
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BU of 4y4r by Molmil
Crystal structure of ribosomal oxygenase NO66 dimer mutant
Descriptor: ACETATE ION, Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, NICKEL (II) ION
Authors:Wang, C, Hang, T, Zang, J.
Deposit date:2015-02-11
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
7WKU
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BU of 7wku by Molmil
Structure of PDCoV Mpro in complex with an inhibitor
Descriptor: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Peptidase C30
Authors:Wang, F.H, Yang, H.T.
Deposit date:2022-01-11
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structure of the Porcine Deltacoronavirus Main Protease Reveals a Conserved Target for the Design of Antivirals.
Viruses, 14, 2022
7RE9
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BU of 7re9 by Molmil
TCR mimic antibody (Fab fragment)
Descriptor: DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain
Authors:Dasgupta, M, Baker, B.M.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
7RE8
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BU of 7re8 by Molmil
Class I MHC (HLA-A*02) presenting alpha fetoprotein peptide (AFP)
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, MHC class I antigen, ...
Authors:Dasgupta, M, Baker, B.M.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
7RE7
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BU of 7re7 by Molmil
TCR mimic antibody (Fab fragment) in complex with AFP/HLA-A*02
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, FORMIC ACID, ...
Authors:Dasgupta, M, Baker, B.M.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
6DQB
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BU of 6dqb by Molmil
LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ8
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BU of 6dq8 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
7DWC
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BU of 7dwc by Molmil
Bacteroides thetaiotaomicron VPI5482 BTAxe1
Descriptor: Xylanase
Authors:Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C.
Deposit date:2021-01-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Rational Design for Broadened Substrate Specificity and Enhanced Activity of a Novel Acetyl Xylan Esterase from Bacteroides thetaiotaomicron.
J.Agric.Food Chem., 69, 2021
6DQ6
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BU of 6dq6 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQF
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BU of 6dqf by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N68 i.e. 2-(1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid, Linked KDM5A Jmj Domain, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.688 Å)
Cite:To be determined
To Be Published
6DQA
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BU of 6dqa by Molmil
Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
Descriptor: 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018

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